2-chloro-N-[2-(2-ethoxyphenoxy)ethyl]-N-methylcyclohexan-1-amine

C17H26ClNO2 — CID 102637557

IUPAC2-chloro-N-[2-(2-ethoxyphenoxy)ethyl]-N-methylcyclohexan-1-amine
SMILESCCOc1ccccc1OCCN(C)C1CCCCC1Cl
InChIInChI=1S/C17H26ClNO2/c1-3-20-16-10-6-7-11-17(16)21-13-12-19(2)15-9-5-4-8-14(15)18/h6-7,10-11,14-15H,3-5,8-9,12-13H2,1-2H3
InChIKeyFCPVQACLVWVBNH-UHFFFAOYSA-N
MW311.85 g/mol
LogP3.95
Rot. Bonds7

About 2-chloro-N-[2-(2-ethoxyphenoxy)ethyl]-N-methylcyclohexan-1-amine

2-chloro-N-[2-(2-ethoxyphenoxy)ethyl]-N-methylcyclohexan-1-amine (PubChem CID 102637557) has the molecular formula C17H26ClNO2 and a molecular weight of 311.85 g/mol. Its IUPAC name is 2-chloro-N-[2-(2-ethoxyphenoxy)ethyl]-N-methylcyclohexan-1-amine.

Molecular Properties

Compound Name2-chloro-N-[2-(2-ethoxyphenoxy)ethyl]-N-methylcyclohexan-1-amine
PubChem CID102637557
Molecular FormulaC17H26ClNO2
Molecular Weight311.85 g/mol
Exact Mass311.17
IUPAC Name2-chloro-N-[2-(2-ethoxyphenoxy)ethyl]-N-methylcyclohexan-1-amine
SMILESCCOc1ccccc1OCCN(C)C1CCCCC1Cl
InChIInChI=1S/C17H26ClNO2/c1-3-20-16-10-6-7-11-17(16)21-13-12-19(2)15-9-5-4-8-14(15)18/h6-7,10-11,14-15H,3-5,8-9,12-13H2,1-2H3
InChIKeyFCPVQACLVWVBNH-UHFFFAOYSA-N
XLogP3.95
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.85
LogP ≤ 53.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

2-chloro-N-methyl-N-[2-(2-methylpropoxy)ethyl]cyclohexan-1-amine
CID 106457899
2-chloro-N-[2-(2-methoxyethoxy)ethyl]-N-methylcyclohexan-1-amine
CID 102637431
1-cyclohexyl-3-(2-ethoxyphenoxy)propan-1-one
CID 39375404
3-bromo-N-[2-(2-ethoxyphenoxy)ethyl]-N-methylpropan-1-amine
CID 114230687
N-cyclopentyl-4-(2-ethoxyphenoxy)butanamide
CID 78781833
4-chloro-1-[2-(2-ethoxyphenoxy)ethyl]-3-methylpiperidine
CID 114682320
1-[2-[1-(bromomethyl)cyclobutyl]ethoxy]-2-ethoxybenzene
CID 66048885
1-chloro-2-(2-propoxyphenyl)cycloheptane
CID 104662441
2-[2-(2-ethoxyphenoxy)ethyl]-1,1-dimethylhydrazine
CID 83015100
N-[2-(2-ethoxyphenoxy)ethyl]cyclopropanamine;hydrochloride
CID 117068187
1-[2-(2-ethoxyphenoxy)ethyl]cyclooctan-1-amine
CID 80610107
2-(2-ethoxyphenoxy)cyclohexan-1-ol
CID 60878019

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[2-(2-ethoxyphenoxy)ethyl]-N-methylcyclohexan-1-amine?
The IUPAC name of 2-chloro-N-[2-(2-ethoxyphenoxy)ethyl]-N-methylcyclohexan-1-amine (CID 102637557) is 2-chloro-N-[2-(2-ethoxyphenoxy)ethyl]-N-methylcyclohexan-1-amine.
What is the SMILES notation for 2-chloro-N-[2-(2-ethoxyphenoxy)ethyl]-N-methylcyclohexan-1-amine?
The canonical SMILES for 2-chloro-N-[2-(2-ethoxyphenoxy)ethyl]-N-methylcyclohexan-1-amine is CCOc1ccccc1OCCN(C)C1CCCCC1Cl.
What is the InChIKey of 2-chloro-N-[2-(2-ethoxyphenoxy)ethyl]-N-methylcyclohexan-1-amine?
The InChIKey is FCPVQACLVWVBNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26ClNO2/c1-3-20-16-10-6-7-11-17(16)21-13-12-19(2)15-9-5-4-8-14(15)18/h6-7,10-11,14-15H,3-5,8-9,12-13H2,1-2H3.
What are the key properties of 2-chloro-N-[2-(2-ethoxyphenoxy)ethyl]-N-methylcyclohexan-1-amine?
2-chloro-N-[2-(2-ethoxyphenoxy)ethyl]-N-methylcyclohexan-1-amine has a molecular weight of 311.85 g/mol, XLogP of 3.95, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[2-(2-ethoxyphenoxy)ethyl]-N-methylcyclohexan-1-amine is sourced from PubChem (CID 102637557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).